N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-bromophenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-bromophenyl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C29H28BrN3O2S MolecularWeight: 562.52052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H28BrN3O2S/c1-29(2,3)17-11-12-20-24(14-17)36-28(25(20)26(31)34)33-27(35)21-15-23(16-7-6-8-18(30)13-16)32-22-10-5-4-9-19(21)22/h4-10,13,15,17H,11-12,14H2,1-3H3,(H2,31,34)(H,33,35)